UCSF

ZINC21792999

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.27 11.72 -44.23 2 1 1 17 296.821 4
Mid Mid (pH 6-8) 5.27 10.45 -4.17 1 1 0 12 295.813 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )